| SpectraBase Compound ID | Kf2FTIeDP9Y |
|---|---|
| InChI | InChI=1S/C52H76N10O13/c1-27(2)22-34(50(70)74-13)60-48(68)39(28(3)4)61-44(64)31(7)56-45(65)33(23-32-18-15-14-16-19-32)57-38(63)26-54-46(66)37-20-17-21-62(37)49(69)41-43(73-12)30(6)35(59-41)24-53-47(67)40-42(72-11)29(5)36(58-40)25-55-51(71)75-52(8,9)10/h14-16,18-19,27-28,31,33-34,37,39,58-59H,17,20-26H2,1-13H3,(H,53,67)(H,54,66)(H,55,71)(H,56,65)(H,57,63)(H,60,68)(H,61,64)/t31-,33+,34-,37+,39-/m1/s1 |
| InChIKey | BEFSUHLFTODXGY-HLGXKRQSSA-N |
| Mol Weight | 1049.2 g/mol |
| Molecular Formula | C52H76N10O13 |
| Exact Mass | 1048.559333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhXJE4JceIU |
|---|---|
| Name | BOC-MOPAS-D-PRO-GLY-PHE-ALA-VAL-LEU-OME |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H76N10O13 |
| InChI | InChI=1S/C52H76N10O13/c1-27(2)22-34(50(70)74-13)60-48(68)39(28(3)4)61-44(64)31(7)56-45(65)33(23-32-18-15-14-16-19-32)57-38(63)26-54-46(66)37-20-17-21-62(37)49(69)41-43(73-12)30(6)35(59-41)24-53-47(67)40-42(72-11)29(5)36(58-40)25-55-51(71)75-52(8,9)10/h14-16,18-19,27-28,31,33-34,37,39,58-59H,17,20-26H2,1-13H3,(H,53,67)(H,54,66)(H,55,71)(H,56,65)(H,57,63)(H,60,68)(H,61,64)/t31-,33+,34-,37+,39-/m1/s1 |
| InChIKey | BEFSUHLFTODXGY-HLGXKRQSSA-N |
| Literature Reference Author | C.BONAUER,M.ZABEL,B.KOENIG |
| Literature Reference Citation | ORG.LETTERS,6,1349(2004) |
| Literature Reference DOI | 10.1021/ol049855x |
| Molecular Weight | 1049.235 g/mol |
| Sample ID | 50910 |
| Solvent | DMSO |